1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one

C25H28F5N3O3 — CID 159475900

IUPAC1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
SMILESCc1cc(OCc2c(F)cncc2F)c2nc(C)c(C(=O)CC(CCCC(F)(F)F)C(C)(C)O)n2c1
InChIInChI=1S/C25H28F5N3O3/c1-14-8-21(36-13-17-18(26)10-31-11-19(17)27)23-32-15(2)22(33(23)12-14)20(34)9-16(24(3,4)35)6-5-7-25(28,29)30/h8,10-12,16,35H,5-7,9,13H2,1-4H3
InChIKeyLWJLEZPOOCZGLU-UHFFFAOYSA-N
MW513.51 g/mol
LogP5.90
Rot. Bonds10

About 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one

1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one (PubChem CID 159475900) has the molecular formula C25H28F5N3O3 and a molecular weight of 513.51 g/mol. Its IUPAC name is 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one.

Molecular Properties

Compound Name1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
PubChem CID159475900
Molecular FormulaC25H28F5N3O3
Molecular Weight513.51 g/mol
Exact Mass513.21
IUPAC Name1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
SMILESCc1cc(OCc2c(F)cncc2F)c2nc(C)c(C(=O)CC(CCCC(F)(F)F)C(C)(C)O)n2c1
InChIInChI=1S/C25H28F5N3O3/c1-14-8-21(36-13-17-18(26)10-31-11-19(17)27)23-32-15(2)22(33(23)12-14)20(34)9-16(24(3,4)35)6-5-7-25(28,29)30/h8,10-12,16,35H,5-7,9,13H2,1-4H3
InChIKeyLWJLEZPOOCZGLU-UHFFFAOYSA-N
XLogP5.90
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one with MolForge

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Related Compounds

1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-6,6,7,7,7-pentafluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
CID 159633063
1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6,6,7,7,7-pentafluoro-3-(2-hydroxypropan-2-yl)heptan-1-one
CID 160956973
1-[2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)heptan-1-one
CID 158815547
8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115570
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
3-(chloromethyl)-5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-5-oxopentanenitrile
CID 159330121
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
CID 157458892
4-amino-3-(3-bromophenyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 159478514
6,6,6-trifluoro-2-[[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]hexanoic acid
CID 90115932
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115694
N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 86724807

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one?
The IUPAC name of 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one (CID 159475900) is 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one.
What is the SMILES notation for 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one?
The canonical SMILES for 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one is Cc1cc(OCc2c(F)cncc2F)c2nc(C)c(C(=O)CC(CCCC(F)(F)F)C(C)(C)O)n2c1.
What is the InChIKey of 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one?
The InChIKey is LWJLEZPOOCZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F5N3O3/c1-14-8-21(36-13-17-18(26)10-31-11-19(17)27)23-32-15(2)22(33(23)12-14)20(34)9-16(24(3,4)35)6-5-7-25(28,29)30/h8,10-12,16,35H,5-7,9,13H2,1-4H3.
What are the key properties of 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one?
1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one has a molecular weight of 513.51 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(3,5-difluoro-4-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-3-(2-hydroxypropan-2-yl)heptan-1-one is sourced from PubChem (CID 159475900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).